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1. Charge effect of a liposomal delivery system encapsulating simvastatin to treat experimental ischemic stroke in rats

Author

Campos-Martorell M, Cano-Sarabia M, Simats A, Hernández-Guillamon M, Rosell A, Maspoch D, and Montaner J

Subjects
Simvastatin, liposomes, delivery, brain, stroke, rat, Medicine (General), R5-920
Abstract

Mireia Campos-Martorell,1 Mary Cano-Sarabia,2 Alba Simats,1 Mar Hernández-Guillamon,1 Anna Rosell,1 Daniel Maspoch,2,3 Joan Montaner1,4 1Neurovascular Research Laboratory, Institut de Recerca Vall d’Hebron, Universitat Autònoma de Barcelona, Barcelona, 2Catalan Institute of Nanoscience and Nanotechnology (ICN2), CSIC and The Barcelona Institute of Science and Technology, Universitat Autònoma de Barcelona, Barcelona, 3Institució Catalana de Recerca i Estudis Avançats (ICREA), 4Neurovascular Unit, Department of Neurology, Universitat Autònoma de Barcelona, Hospital Vall d’Hebron, Barcelona, Spain Background and aims: Although the beneficial effects of statins on stroke have been widely demonstrated both in experimental studies and in clinical trials, the aim of this study is to prepare and characterize a new liposomal delivery system that encapsulates simvastatin to improve its delivery into the brain. Materials and methods: In order to select the optimal liposome lipid composition with the highest capacity to reach the brain, male Wistar rats were submitted to sham or transitory middle cerebral arterial occlusion (MCAOt) surgery and treated (intravenous [IV]) with fluorescent-labeled liposomes with different net surface charges. Ninety minutes after the administration of liposomes, the brain, blood, liver, lungs, spleen, and kidneys were evaluated ex vivo using the Xenogen IVIS® Spectrum imaging system to detect the load of fluorescent liposomes. In a second substudy, simvastatin was assessed upon reaching the brain, comparing free and encapsulated simvastatin (IV) administration. For this purpose, simvastatin levels in brain homogenates from sham or MCAOt rats at 2 hours or 4 hours after receiving the treatment were detected through ultra-high-protein liquid chromatography. Results: Whereas positively charged liposomes were not detected in brain or plasma 90 minutes after their administration, neutral and negatively charged liposomes were able to reach the brain and accumulate specifically in the infarcted area. Moreover, neutral liposomes exhibited higher bioavailability in plasma 4 hours after being administered. The detection of simvastatin by ultra-high-protein liquid chromatography confirmed its ability to cross the blood–brain barrier, when administered either as a free drug or encapsulated into liposomes. Conclusion: This study confirms that liposome charge is critical to promote its accumulation in the brain infarct after MCAOt. Furthermore, simvastatin can be delivered after being encapsulated. Thus, simvastatin encapsulation might be a promising strategy to ensure that the drug reaches the brain, while increasing its bioavailability and reducing possible side effects. Keywords: simvastatin, liposomes, delivery, brain, stroke, rat

Published
2016

3. Narrow Zero-Field Tunneling Resonance in Triclinic Mn$_{12}$ Acetate Ribbons

Author

Imaz, I., Espin, J., Maspoch, D., Tejada, J., Zarzuela, R., Statuto, N., and Chudnovsky, E. M.

Subjects
Condensed Matter - Mesoscale and Nanoscale Physics, Condensed Matter - Materials Science
Abstract

We report synthesis, structural characterization, and magnetic measurements of amorphous Mn$_{12}$-acetate ribbons with a triclinic short-range crystal order not previously seen in experiment. The ribbons exhibit the same structure of Mn$_{12}$ molecules and the same positions of tunneling resonances on the magnetic field as a conventional tetragonal Mn$_{12}$-acetate crystal. However, the width of the zero-field resonance is by at least one order of magnitude smaller, indicating very small inhomoge- neous broadening due to dipolar and nuclear fields. Possible origins of this effect are discussed., Comment: 6 pages, 10 figures

Published
2015

4. Enhanced spin tunneling in a molecular magnet mixed with a superconductor

Author

Tejada, J., Zarzuela, R., García-Santiago, A., Imaz, I., Espin, J., Maspoch, D., and Chudnovsky, E. M.

Subjects
Condensed Matter - Mesoscale and Nanoscale Physics, Condensed Matter - Superconductivity
Abstract

We report characterization and magnetic studies of mixtures of micrometer-size ribbons of Mn$_{12}$ acetate and micrometer-size particles of YBaCuO superconductor. Extremely narrow zero-field spin-tunneling resonance has been observed in the mixtures, pointing to the absence of the inhomogeneous dipolar broadening. It is attributed to the screening of the internal magnetic fields in the magnetic particles by Josephson currents between superconducting grains surrounding the particles., Comment: 5 pages, 5 figures

Published
2015

5. Resonant Spin Tunneling in Randomly Oriented Nanospheres of Mn$_{12}$ Acetate

Author

Lendinez, S., Zarzuela, R., Tejada, J., Terban, M. W., Billinge, S. J. L., Espin, J., Imaz, I., Maspoch, D., and Chudnovsky, E. M.

Subjects
Condensed Matter - Mesoscale and Nanoscale Physics
Abstract

We report measurements and theoretical analysis of resonant spin tunneling in randomly oriented nanospheres of a molecular magnet. Amorphous nanospheres of Mn$_{12}$ acetate have been fabricated and characterized by chemical, infrared, TEM, X-ray, and magnetic methods. Magnetic measurements have revealed sharp tunneling peaks in the field derivative of the magnetization that occur at the typical resonant field values for Mn$_{12}$ acetate. Theoretical analysis is provided that explains these observations. We argue that resonant spin tunneling in a molecular magnet can be established in a powder sample, without the need for a single crystal and without aligning the easy magnetization axes of the molecules. This is confirmed by re-analyzing the old data on a powdered sample of non-oriented micron-size crystals of Mn$_{12}$ acetate. Our findings can greatly simplify the selection of candidates for quantum spin tunneling among newly synthesized molecular magnets., Comment: 8 pages, 11 figures

Published
2014
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7. Spin Crossover-Assisted Modulation of Electron Transport in a Single-Crystal 3D Metal-Organic Framework

Author

Martinez-Martinez A., Resines-Urien E., Piñeiro-López L., Fernández-Blanco A., Lorenzo Mariano A., Albalad J., Maspoch D., Poloni R., Rodríguez-Velamazán J.A., Sañudo E.C., Burzurí E., Sánchez Costa J., Martinez-Martinez A., Resines-Urien E., Piñeiro-López L., Fernández-Blanco A., Lorenzo Mariano A., Albalad J., Maspoch D., Poloni R., Rodríguez-Velamazán J.A., Sañudo E.C., Burzurí E., and Sánchez Costa J.

Published
2023

10. How reproducible are surface areas calculated from the BET equation?

Author

Avcı, Seda Keskin (ORCID 0000-0001-5968-0336 & YÖK ID 40548), Osterrieth, J.W.M., Rampersad, J., Madden, D., Rampal, N., Skoric, L., Connolly, B., Allendorf, M.D., Stavila, V., Snider, J.L., Ameloot, R., Marreiros, J., Ania, C., Azevedo, D., Vilarrasa-Garcia, E., Santos, B.F., Bu, X.H., Chang, Z., Bunzen, H., Champness, N.R., Griffin, S.L., Chen, B., Lin, R.B., Coasne, B., Cohen, S., Moreton, J.C., Colón, Y.J., Chen, L., Clowes, R., Coudert, F.X., Cui, Y., Hou, B., D'Alessandro, D.M., Doheny, P.W., Dinc?, M., Sun, C., Doonan, C., Huxley, M.T., Evans, J.D., Falcaro, P., Ricco, R., Farha, O., Idrees, K.B., Islamoglu, T., Feng, P., Yang, H., Forgan, R.S., Bara, D., Furukawa, S., Sanchez, E., Gascon, J., Telalovi?, S., Ghosh, S.K., Mukherjee, S., Hill, M.R., Sadiq, M.M., Horcajada, P., Salcedo-Abraira, P., Kaneko, K., Kukobat, R., Kenvin, J., Kitagawa, S., Otake, K.I., Lively, R.P., DeWitt, S.J.A., Llewellyn, P., Lotsch, B.V., Emmerling, S.T., Pütz, A.M., Martí-Gastaldo, C., Padial, N.M., García-Martínez, J., Linares, N., Maspoch, D., Suárez Del Pino, J.A., Moghadam, P., Oktavian, R.; Morris, R.E.; Wheatley, P.S.; Navarro, J.; Petit, C.; Danacı, D.; Rosseinsky, M.J.; Katsoulidis, A.P.; Schröder, M.; Han, X.; Yan, S.; Serre, C.; Mouchaham, G.; Sholl, D.S.; Thyagarajan, R.; Siderius, D.; Snurr, R.Q.; Goncalves, R.B.; Telfer, S.; Lee, S.J.; Ting, V.P.; Rowlandson, J.L.; Uemura T, Iiyuka, T.; van derVeen, Monique A.; Rega, Davide; Van Speybroeck, Veronique; Rogge, Sven M. J.; Lamaire, Aran; Walton, Krista S.; Bingel, Lukas W.; Wuttke, Stefan; Andreo, Jacopo; Yaghi, Omar; Zhang, Bing; Yavuz, Cafer T.; Nguyen, Thien S.; Zamora, Felix; Montoro, Carmen; Zhou, Hongcai; Kirchon, Angelo; Fairen-Jimenez, David, College of Engineering, Department of Chemical and Biological Engineering, Avcı, Seda Keskin (ORCID 0000-0001-5968-0336 & YÖK ID 40548), Osterrieth, J.W.M., Rampersad, J., Madden, D., Rampal, N., Skoric, L., Connolly, B., Allendorf, M.D., Stavila, V., Snider, J.L., Ameloot, R., Marreiros, J., Ania, C., Azevedo, D., Vilarrasa-Garcia, E., Santos, B.F., Bu, X.H., Chang, Z., Bunzen, H., Champness, N.R., Griffin, S.L., Chen, B., Lin, R.B., Coasne, B., Cohen, S., Moreton, J.C., Colón, Y.J., Chen, L., Clowes, R., Coudert, F.X., Cui, Y., Hou, B., D'Alessandro, D.M., Doheny, P.W., Dinc?, M., Sun, C., Doonan, C., Huxley, M.T., Evans, J.D., Falcaro, P., Ricco, R., Farha, O., Idrees, K.B., Islamoglu, T., Feng, P., Yang, H., Forgan, R.S., Bara, D., Furukawa, S., Sanchez, E., Gascon, J., Telalovi?, S., Ghosh, S.K., Mukherjee, S., Hill, M.R., Sadiq, M.M., Horcajada, P., Salcedo-Abraira, P., Kaneko, K., Kukobat, R., Kenvin, J., Kitagawa, S., Otake, K.I., Lively, R.P., DeWitt, S.J.A., Llewellyn, P., Lotsch, B.V., Emmerling, S.T., Pütz, A.M., Martí-Gastaldo, C., Padial, N.M., García-Martínez, J., Linares, N., Maspoch, D., Suárez Del Pino, J.A., Moghadam, P., Oktavian, R.; Morris, R.E.; Wheatley, P.S.; Navarro, J.; Petit, C.; Danacı, D.; Rosseinsky, M.J.; Katsoulidis, A.P.; Schröder, M.; Han, X.; Yan, S.; Serre, C.; Mouchaham, G.; Sholl, D.S.; Thyagarajan, R.; Siderius, D.; Snurr, R.Q.; Goncalves, R.B.; Telfer, S.; Lee, S.J.; Ting, V.P.; Rowlandson, J.L.; Uemura T, Iiyuka, T.; van derVeen, Monique A.; Rega, Davide; Van Speybroeck, Veronique; Rogge, Sven M. J.; Lamaire, Aran; Walton, Krista S.; Bingel, Lukas W.; Wuttke, Stefan; Andreo, Jacopo; Yaghi, Omar; Zhang, Bing; Yavuz, Cafer T.; Nguyen, Thien S.; Zamora, Felix; Montoro, Carmen; Zhou, Hongcai; Kirchon, Angelo; Fairen-Jimenez, David, College of Engineering, and Department of Chemical and Biological Engineering

Abstract

Porosity and surface area analysis play a prominent role in modern materials science. At the heart of this sits the Brunauer-Emmett-Teller (BET) theory, which has been a remarkably successful contribution to the field of materials science. The BET method was developed in the 1930s for open surfaces but is now the most widely used metric for the estimation of surface areas of micro- and mesoporous materials. Despite its widespread use, the calculation of BET surface areas causes a spread in reported areas, resulting in reproducibility problems in both academia and industry. To prove this, for this analysis, 18 already-measured raw adsorption isotherms were provided to sixty-one labs, who were asked to calculate the corresponding BET areas. This round-robin exercise resulted in a wide range of values. Here, the reproducibility of BET area determination from identical isotherms is demonstrated to be a largely ignored issue, raising critical concerns over the reliability of reported BET areas. To solve this major issue, a new computational approach to accurately and systematically determine the BET area of nanoporous materials is developed. The software, called ""BET surface identification"" (BETSI), expands on the well-known Rouquerol criteria and makes an unambiguous BET area assignment possible., European Union (EU); Horizon 2020; European Research Council (ERC); Research and Innovation Programme; NanoMOFdeli; COFLeaf; ERC-2016-COG; SCoTMOF; ERC-2015-StG; COSMOS; 2017-StG; European Commission (EC); H2020-MSCA-RISE-2019 Program; ZEOBIOCHEM; Innovate UK; EPSRC IAA; U.S. Department of Energy; Office of Basic Energy Sciences, Materials Sciences and Engineering Division; SERB; Spanish MICINN; AEI/FEDER; University of Alicante; Severo Ochoa Program; Spanish MINECO; Fund for Scientific Research Flanders (FWO); EPSRC Cambridge NanoDTC; National Research Foundation of Korea; Indonesian Endowment Fund for Education-LPDP;Cambridge International Scholarship; Trinity-Henry Barlow Scholarship (Honorary); U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy; Hydrogen and Fuel Cell Technologies Office; Hydrogen Storage Materials Advanced Research Consortium (HyMARC); Alexander von Humboldt Foundation; Center for Information Services and High Performance Computing (ZIH); Sandia National Laboratories; Official contribution of the National Institute of Standards and Technology (NIST)

Published
2022

11. Green synthesis of imine-based covalent organic frameworks in water

Author

Martín-Illán J.Á., Rodríguez-San-Miguel D., Franco C., Imaz I., Maspoch D., Puigmartí-Luis J., Zamora F., European Commission, European Research Council, Swiss National Science Foundation, Generalitat de Catalunya, Ministerio de Ciencia, Innovación y Universidades (España), Agencia Estatal de Investigación (España), and Ministerio de Economía y Competitividad (España)

Subjects
One pot, Aqueous solution, Aqueous synthesis, Chemistry, Imine, Metals and Alloys, 02 engineering and technology, General Chemistry, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Combinatorial chemistry, Catalysis, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, chemistry.chemical_compound, High yield, Microwave conditions, Covalent bond, Materials Chemistry, Ceramics and Composites, Synthetic protocols, 0210 nano-technology, Covalent organic frameworks
Abstract

Dynamic covalent bonds have been advantageously used to direct the synthesis of crystalline porous covalent organic frameworks (COFs). Unlike the standard synthetic protocols that involve harsh conditions, this work provides a high-yield “one-pot” green synthesis of imine-based COFs in water. Additionally, this aqueous synthesis can be performed under microwave conditions, considerably reducing the reaction time., This work was supported by the EU (ERC-2015-STG microCrysFact 677020 and ERC-Co 615954), Swiss National Science Foundation (project no. 200021_160174 and 200021_181988), ETH Zürich, Catalan AGAUR (project 2017 SGR 238), and MICINN (“María de Maeztu” Programme for Units of Excellence in R&D CEX2018-000805-M, MAT2016-77608-C3-1P and RTI2018-095622-B-I00). It was also funded by the CERCA Program/Generalitat de Catalunya. ICN2 is supported by Severo Ochoa program from MINECO (SEV-2017-0706).

Published
2020

12. Green synthesis of imine-based covalent organic frameworks in water

Author

Martín-Illán J.Á., Rodríguez-San-Miguel D., Rodríguez-San-Miguel D., Franco C., Imaz I., Maspoch D., Maspoch D., Puigmartí-Luis J., Zamora F., Zamora F., Zamora F., Zamora F. and This work was supported by the EU (ERC-2015-STG micro-CrysFact 677020 and ERC-Co 615954), Swiss National Science Foundation (project no. 200021_160174 and 200021_181988), ETH Zürich, Catalan AGAUR (project 2017 SGR 238), and MICINN (‘‘María de Maeztu’’ Programme for Units of Excellence in R&D CEX2018-000805-M, MAT2016-77608-C3-1P and RTI2018-095622-B-I00). It was also funded by the CERCA Program/ Generalitat de Catalunya. ICN2 is supported by Severo Ochoa program from MINECO (SEV-2017-0706).

Published
2020

15. Preclinical evaluation of antigen-specific nanotherapy based on phosphatidylserine-liposomes for type 1 diabetes

Author

Villalba A, Rodriguez-Fernandez S, Ampudia RM, Cano-Sarabia M, Perna-Barrull D, Bertran-Cobo C, Ehrenberg C, Maspoch D, and Vives-Pi M

Subjects
endocrine system, endocrine system diseases, immune system diseases, nutritional and metabolic diseases, Nanovesicles, autoimmunity, immunotherapy
Abstract

Type 1 diabetes (T1D) is an autoimmune disease caused by the destruction of insulin-producing cells. Due to the ability of apoptotic cells clearance to induce tolerance, we previously generated liposomes rich in phophatidylserine (PS) -a feature of apoptotic cells- loaded with insulin peptides to mimic apoptotic beta-cells. PS-liposomes arrested autoimmunity in experimental T1D through the induction of tolerance. The aim of this study was to investigate the potential of several peptides from different T1D autoantigens encapsulated in (PS)-liposomes for T1D prevention and to assess its safety. T1D autoantigens (Insulin, C-peptide, GAD65 and IA2) were encapsulated in PS-liposomes. Liposomes were administered to the 'gold-standard' model for the study of autoimmune T1D, the Non-Obese Diabetic mouse, that spontaneously develop the disease. Safety and toxicity of liposomes were also determined. Only PS-liposomes encapsulating insulin peptides decrease T1D incidence in the Non-Obese Diabetic mouse model. Disease prevention correlates with a decrease in the severity of the autoimmune islet destruction driven by leukocytes. PS-liposomes neither showed toxic effect nor secondary complications. Among the here referred autoantigens, insulin peptides are the best candidates to be encapsulated in liposomes, like an artificial apoptotic cell, for the arrest of autoimmunity in T1D in a safe manner.

Published
2020

16. A MOF@COF Composite with Enhanced Uptake through Interfacial Pore Generation

Author

Garzón-Tovar L., Pérez-Carvajal J., Yazdi A., Hernández-Muñoz J., Tarazona P., Imaz I., Zamora F., Maspoch D. and This work was supported by the Spanish MINECO (projects PN MAT2016-77608-C3-1-P, FIS2017-86007-C3 and FPU2015/0248), the Catalan AGAUR (project 2014 SGR 80), the ERC, under EU-FP7 (ERC-Co 615954), and the CERCA Program/Generalitat de Catalunya. ICN2 is supported by the Severo Ochoa program from Spanish MINECO (Grant No. SEV-2017-0706). IFIMAC is supported by the Maria de Maeztu program (Grant No. MDM-2014-0377).

Published
2019

19. Reversible Thermochromic Polymeric Thin Films Made of Ultrathin 2D Crystals of Coordination Polymers Based on Copper(I)-Thiophenolates

Author

Troyano J., Castillo O., Martínez J.I., Fernández-Moreira V., Ballesteros Y., Maspoch D., Zamora F., Delgado S. and This work was supported by the Spanish MINECO (projects PN MAT2015-65354-C2-1-R, MAT2013-46753-C2-1-P, MAT2016-75883-C2-1-P, MAT2016-77608-C3-1-P, and CTQ2016-75816-C2-1-P), the Catalan AGAUR (project 2014 SGR 80), and the ERC under the EU FP7 (ERC-Co 615954). It was also funded by the CERCA Programme/ Generalitat de Catalunya. ICN2 acknowledges the support of the Spanish MINECO through the Severo Ochoa Centers of Excellence Program, under Grant No. SEV-2013-0295. F.Z. thanks the 'María de Maeztu' Programme for Units of Excellence in R&D (MDM-2014-0377). The authors thank Dr. Vincent Guillerm for the photographic work.

Published
2018

21. Purification of Uranium-based Endohedral Metallofullerenes (EMFs) by Selective Supramolecular Encapsulation and Release

Author

Universitat Rovira i Virgili, Fuertes-Espinosa C; Gómez-Torres A; Morales-Martínez R; Rodríguez-Fortea A; García-Simón C; Gándara F; Imaz I; Juanhuix J; Maspoch D; Poblet J; Echegoyen L; Ribas X, Universitat Rovira i Virgili, and Fuertes-Espinosa C; Gómez-Torres A; Morales-Martínez R; Rodríguez-Fortea A; García-Simón C; Gándara F; Imaz I; Juanhuix J; Maspoch D; Poblet J; Echegoyen L; Ribas X

Abstract

© 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim Supramolecular nanocapsule 1⋅(BArF)8 is able to sequentially and selectively entrap recently discovered U2@C80 and unprecedented Sc2CU@C80, simply by soaking crystals of 1⋅(BArF)8 in a toluene solution of arc-produced soot. These species, selectively and stepwise absorbed by 1⋅(BArF)8, are easily released, obtaining highly pure fractions of U2@C80 and Sc2CU@C80 in one step. Sc2CU@C80 represents the first example of a mixed metal actinide-based endohedral metallofullerene (EMF). Remarkably, the host–guest studies revealed that 1⋅(BArF)8 is able to discriminate EMFs with the same carbon cage but with different encapsulated cluster and computational studies provide support for these observations.

Published
2018

22. From micron- to centimeter-sized MOF objects - The influence of compression on MOFs properties

Author

Dhainaut, J., Troyano, J., Legrand, A., Canivet, J., Imaz, I., Maspoch, D., Farrusseng, D., IRCELYON, ProductionsScientifiques, IRCELYON-Ingéniérie, du matériau au réacteur (ING), Institut de recherches sur la catalyse et l'environnement de Lyon (IRCELYON), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), and Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)

Subjects
[CHIM.CATA] Chemical Sciences/Catalysis, [CHIM.CATA]Chemical Sciences/Catalysis, [SDE.ES] Environmental Sciences/Environmental and Society, [SDE.ES]Environmental Sciences/Environmental and Society
Abstract

SSCI-VIDE+ING+JDH:JEC:DFA; National audience; Typically, Metal-Organic Frameworks (MOFs) are prepared as sparse powders, thus showing rather low volumetric uptakes. However, in most applications restraints are dictated by the available volume. Therefore, a densification step appears necessary to make MOFs competitive against usual porous materials. Yet, substantial collapse of the structure, formed via coordination bonds, usually occurs during compression.We recently looked at the densification of several industrially-relevant MOFs: HKUST-1, and the isostructural series UiO-66, UiO-66-NH2, and UiO-67. Herein, we present the use of a R&D tableting robot to evaluate the impact of compression on the structural and textural properties of the resulting tablets, aiming at the best compromise between the tablets porosity and density. A slow densification allowed us to maintain most of the initial structure, as proved by XRD and N2 physisorption. We also mixed HKUST-1 powder with up to 2wt% of graphite to investigate its potential to minimize the effect of compression. Finally, we challenged the stability of our tablets after four months in standard room conditions.

Published
2017

23. Spray drying for making covalent chemistry II: Synthesis of covalent-organic framework superstructures and related composites

Author

Garzón-Tovar L., Avci-Camur C., Rodríguez-San-Miguel D., Imaz I., Zamora F., Maspoch D. and This work was supported by the Spanish MINECO (project PN MAT2015-65354-C2-1-R), the Catalan AGAUR (project 2014 SGR 80), and the ERC under the EU FP7 (ERC-Co 615954). It was also funded by the CERCA Programme/Generalitat de Catalunya. ICN2 acknowledges the support of the Spanish MINECO through the Severo Ochoa Centers of Excellence Program under Grant SEV-2013-0295.

Published
2017

24. Characterization of ApoJ-reconstituted high-density lipoprotein (rHDL) nanodisc for the potential treatment of cerebral beta-amyloidosis

Author

Fernandez-de-Retana, S, Cano-Sarabia, M, Marazuela, P, Sanchez-Quesada, JL, Garcia-Leon, A, Montanola, A, Montaner, J, Maspoch, D, and Hernandez-Guillamon, M

Abstract

Cerebral beta-amyloidosis is a major feature of Alzheimer's disease (AD), characterized by the accumulation of beta-amyloid protein (A beta) in the brain. Several studies have implicated lipid/ lipoprotein metabolism in the regulation of beta-amyloidosis. In this regard, HDL (High Density Lipoprotein)-based therapies could ameliorate pathological features associated with AD. As apolipoprotein J (ApoJ) is a natural chaperone that interacts with A beta, avoiding its aggregation and toxicity, in this study we propose to prepare reconstituted rHDL-rApoJ nanoparticles by assembling phospholipids with recombinant human ApoJ (rApoJ). Hence, rHDL particles were prepared using the cholate dialysis method and characterized by N-PAGE, dynamic light scattering, circular dichroism and electron transmission microscopy. The preparation of rHDL particles showed two-sized populations with discoidal shape. Functionally, rHDL-rApoJ maintained the ability to prevent the A beta fibrillization and mediated a higher cholesterol efflux from cultured macrophages. Fluorescently-labelled rHDL-rApoJ nanoparticles were intravenously administrated in mice and their distribution over time was determined using an IVIS Xenogen (R) imager. It was confirmed that rHDL-rApoJ accumulated in the cranial region, especially in old transgenic mice presenting a high cerebral A beta load. In conclusion, we have standardized a reproducible protocol to produce rHDL-rApoJ nanoparticles, which may be potentially considered as a therapeutic option for beta-amyloid-related pathologies.

Published
2017

25. Confining Functional Nanoparticles into Colloidal Imine-Based COF Spheres by a Sequential Encapsulation–Crystallization Method

Author

Rodríguez-San-Miguel D., Yazdi A., Guillerm V., Pérez-Carvajal J., Puntes V., Maspoch D., Zamora F. and This work was supported by the Spanish MINECO (projects PN MAT2016-77608-C3-1-P and MAT2015-65354-C2-1-R), the Catalan AGAUR (project 2014 SGR 80), and the ERC under the EU FP7 (ERC-Co 615954). V.G. is grateful to the Generalitat de Catalunya for a Beatriu de Pin?s fellowship (2014 BP-B 00155). A.Y. and ICN2 acknowledge the support of the Spanish MINECO through the Severo Ochoa Centers of Excellence Program, under Grant SEV-2013-0295.

Published
2017

33. Metal-Organic Frameworks: Biomimetic Replication of Microscopic Metal-Organic Framework Patterns Using Printed Protein Patterns (Adv. Mater. 45/2015).

Author

Liang, K, Carbonell, C, Styles, MJ, Ricco, R, Cui, J, Richardson, JJ, Maspoch, D, Caruso, F, Falcaro, P, Liang, K, Carbonell, C, Styles, MJ, Ricco, R, Cui, J, Richardson, JJ, Maspoch, D, Caruso, F, and Falcaro, P

Abstract

K. Liang, P. Falcaro, and co-workers report on page 7293 that metal-organic frameworks (MOFs) can be replicated in a biomimetic fashion from protein patterns on a surface. Bendable, fluorescent MOF patterns are formed with micrometer resolution under ambient conditions. This technique is used to grow MOF patterns from fingerprint residue in 30 s with high fidelity. This technique is not only relevant for crime-scene investigation, but also for biomedical applications.

Published
2015

34. Biomimetic Replication of Microscopic Metal-Organic Framework Patterns Using Printed Protein Patterns

Author

Liang, K, Carbonell, C, Styles, MJ, Ricco, R, Cui, J, Richardson, JJ, Maspoch, D, Caruso, F, Falcaro, P, Liang, K, Carbonell, C, Styles, MJ, Ricco, R, Cui, J, Richardson, JJ, Maspoch, D, Caruso, F, and Falcaro, P

Abstract

It is demonstrated that metal-organic frameworks (MOFs) can be replicated in a biomimetic fashion from protein patterns. Bendable, fluorescent MOF patterns are formed with micrometer resolution under ambient conditions. Furthermore, this technique is used to grow MOF patterns from fingerprint residue in 30 s with high fidelity. This technique is not only relevant for crime-scene investigation, but also for biomedical applications.

Published
2015

35. Direct On-Surface Patterning of a Crystalline Laminar Covalent Organic Framework Synthesized at Room Temperature

Author

de la peña Ruigómez A., Rodríguez-San-Miguel D., Stylianou K.C., Cavallini M., Gentili D., Liscio F., Milita S., Roscioni O.M., Ruíz-González M.L., Carbonell C., Maspoch D., Mas-Ballesté R., Segura J.L., Zamora F., de la peña Ruigómez A., Rodríguez-San-Miguel D., Stylianou K.C., Cavallini M., Gentili D., Liscio F., Milita S., Roscioni O.M., Ruíz-González M.L., Carbonell C., Maspoch D., Mas-Ballesté R., Segura J.L., and Zamora F.

Published
2015

38. Formation of metal-bioorganic nanofibres on a microchip

Author

Hartfelder, U., Josep Puigmarti-Luis, Imaz, I., Maspoch, D., Dittrich, P. S., and European Research Council

Abstract

Funding from the European Research Council under the 7th Framework Programme (ERC Starting Grant, project no. 203428, “nμ-LIPIDS”) and the ETH for the fellowship to J.P.-L. is gratefully acknowledged.

Published
2010

39. Core–shell Au/CeO2 nanoparticles supported in UiO-66 beads exhibiting full CO conversion at 100 °C.

Author

Yazdi, A., Abo Markeb, A., Garzón-Tovar, L., Patarroyo, J., Moral-Vico, J., Alonso, A., Sánchez, A., Bastus, N., Imaz, I., Font, X., Puntes, V., and Maspoch, D.

Abstract

Hybrid core–shell Au/CeO2 nanoparticles (NPs) dispersed in UiO-66 shaped into microspherical beads are created using the spray-drying continuous-flow method. The combined catalytic properties of nanocrystalline CeO2 and Au in a single particle and the support and protective function of porous UiO-66 beads make the resulting composites show good performances as catalysts for CO oxidation (T50 = 72 °C; T100 = 100 °C) and recyclability. [ABSTRACT FROM AUTHOR]

Published
2017
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40. A nanoporous molecular magnet with reversible solvent-induced mechanical and magnetic properties

Author

Maspoch D 1, Ruiz-Molina D 2, Wurst K 3, Domingo N 4, Cavallini M 5, Biscarini F 6, Tejada J 7, Rovira C 8, and Veciana J. 9

Subjects
free radicals, nanoporous, magnetic sensor
Abstract

Interest in metal-organic open-framework structures has increased enormously in the past few years because of the potential benefits of using crystal engineering techniques to yield nanoporous materials with predictable structures and interesting properties. Here we report a new efficient methodology for the preparation of metal-organic open-framework magnetic structures based on the use of a persistent organic free radical (PTMTC), functionalized with three carboxylic groups. Using this approach, we create an open-framework structure Cu3(PTMTC)2(py)6(CH3CH2OH)2(H2O), which we call MOROF-1, combining very large pores (2.8-3.1 nm) with bulk magnetic ordering. MOROF-1 shows a reversible and highly selective solvent-induced 'shrinking-breathing' process involving large volume changes (25-35%) that strongly influence the magnetic properties of the material. This magnetic sponge-like behaviour could be the first stage of a new route towards magnetic solvent sensors.

Published
2003

46. Synthesis, structural and magnetic properties of a series of copperii complexes containing a monocarboxylated perchlorotriphenylmethyl radical as a coordinating open-shell ligand

Author

Maspoch, D., Ruiz-Molina, D., Wurst, K., Vidal-Gancedo, J., Rovira, C., and Veciana, J.

Abstract

A series of complexes of copperii-containing a perchlorotriphenylmethyl radical functionalized with a carboxylic group as a new ligand is reported. The compounds CuPTMMC2L3 PTMMC (tetradecachloro-4-carboxytriphenylmethyl radical; L 1 H2O, 2 pyrimidine and ethanol or 3 pyridine, Cu2PTMMC2MeCOO2H2O24 and CuHPTMMC2L3 HPTMMC α-H-tetradecachlorotriphenylmethane-4-carboxylic acid; L pyridine 5 were structurally characterized. In complexes 1, 2, 3and 5, the copperii ion is coordinated to two PTMMC or HPTMMC units in a slightly distorted square planar surrounding, while 4shows a paddle-wheel copperii dimer structure, where each Cu metal ion has four O atoms of different carboxylate groups, two of them belonging to two PTMMC radicals. The copperii–radical exchange couplings are antiferromagnetic for complexes 1, 2and 3. A linear three-spin model was applied to complexes 1, 2and 3to give JkB −24.9, −15.0 and −20.7 K, respectively. Magnetic properties of 4show that it is one of the scarce examples of a spin-frustrated system composed of organic radicals and metal ions. In this case, experimental data were fitted to a magnetic model based on a symmetrical butterfly arrangement to give a copperii–copperii exchange coupling of JkB −350.0 K and a copperii–radical exchange coupling of JkB −21.3 K, similar to that observed for the copperii–radical interactions in complexes 1, 2and 3.

Published
2004
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48. Tuning the Endocytosis Mechanism of Zr-Based Metal–Organic Frameworks through Linker Functionalization

Author

Orellana-Tavra, C, Haddad, S, Marshall, R, Abanades Lazaro, I, Boix, G, Imaz, I, Maspoch, D, Forgan, R, and Fairen Jimenez, D

Subjects
drug delivery, metabolic pathways, endocytosis, metal−organic frameworks, 3. Good health
Abstract

A critical bottleneck for the use of metal-organic frameworks (MOFs) as drug delivery systems has been allowing them to reach their intracellular targets without being degraded in the acidic environment of the lysosomes. Cells take up particles by endocytosis through multiple biochemical pathways, and the fate of these particles depends on these routes of entry. Here, we show the effect of functional group incorporation into a series of Zr-based MOFs on their endocytosis mechanisms, allowing us to design an effi-cient drug delivery system. In particular, naphthalene-2,6-dicarboxylic acid and 4,4'-biphenyldicarboxylic acid ligands promote entry through the caveolin-pathway, allowing the particles to avoid lysosomal degradation and be delivered into the cytosol, en-hancing their therapeutic activity when loaded with drugs.

49. Magnetic behaviour of Mn12 single-molecule magnet nanospheres

Author

Carbonera, C., Imaz, I., Maspoch, D., Ruiz-Molina, D., and Luis, F.

Subjects
*AROMATIC compounds, *MAGNETIC properties, *MAGNETISM, *NANOPARTICLES
Abstract

Abstract: Sub-50nm spherical particles that exhibit single-molecule magnet (SMM) behaviour have been fabricated by direct precipitation of [Mn12O12(CH3COO)16(H2O)4] clusters in a mixture of acetonitrile and toluene. The magnetic properties clearly indicate that particle formation does not affect the molecular composition of Mn12O12 clusters, although some interesting differences appear when the magnetic behaviour exhibited by such nanoparticles is compared with a polycrystalline sample of [Mn12O12(CH3COO)16(H2O)4]. [Copyright &y& Elsevier]

Published
2008
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50. How reproducible are surface areas calculated from the BET equation?

Author

Christian Serre, Peyman Z. Moghadam, Feng P, Rama Oktavian, Lin R, Ting, Telalovic S, Omar M. Yaghi, Mark D. Allendorf, Russell E. Morris, Muhammad Sadiq, Philip L. Llewellyn, Jonathan L. Snider, Stavila, Matthew J. Rosseinsky, Hou B, Pütz A, Daniel W. Siderius, Rowlandson J, Randall Q. Snurr, van der Veen M, Nguyen T, Kaneko K, Linares N, Félix Zamora, Zhou H, Camille Petit, Sebastian T. Emmerling, Aran Lamaire, Cui Y, David G. Madden, Salcedo-Abraira P, Krista S. Walton, Soumya Mukherjee, Karam B. Idrees, Doheny Pw, Timur Islamoglu, Azevedo Dcs, Conchi O. Ania, Bu X, Zang X, Martin Schröder, Vilarrasa-García E, Michael T. Huxley, Ken-ichi Otake, Sanchez E, Rega D, Vanspeybroeck, Georges Mouchaham, Carmen Montoro, Lee Sj, David Danaci, Goncalves Rb, Yamil J. Colón, Patricia Horcajada, David S. Sholl, David Fairen-Jimenez, Shane G. Telfer, Bethany M. Connolly, Christian J. Doonan, Ryan P. Lively, D’Alessandro D, Raffaele Ricco, Paul S. Wheatley, Clowes R, Bettina V. Lotsch, Alexandros P. Katsoulidis, François-Xavier Coudert, Dominic Bara, Garcia-Martinez J, Carlos Martí-Gastaldo, Yavuz C, Chen B, Matthew R. Hill, Ross S. Forgan, Shuhei Furukawa, Ghosha Sk, Johannes W.M. Osterrieth, Jack D. Evans, Jorge A. R. Navarro, Suarez Ja, Zhang B, João Marreiros, Jorge Gascon, Neil R. Champness, Kenvin J, Yang S, Iiyuka T, Nakul Rampal, Daniel Maspoch, falcaro p, Rampersad J, Han X, Jacopo Andreo, Benoit Coasne, Yang H, Angelo K, Stefan Wuttke, Santos Bf, Chenyue Sun, Susumu Kitagawa, Luka Skoric, Moreton Jc, Rob Ameloot, Muñoz N, DeWitt Sja, Uemura T, Sven Rogge, Seda Keskin, Lukas W. Bingel, Raghuram Thyagarajan, Mircea Dincă, Seth M. Cohen, Bunzen H, Kukobat R, Omar K. Farha, Sarah L. Griffin, Chen L, University of St Andrews. EaSTCHEM, University of St Andrews. School of Chemistry, University of St Andrews. Institute of Behavioural and Neural Sciences, Institut des Matériaux Poreux de Paris (IMAP ), Département de Chimie - ENS Paris, École normale supérieure - Paris (ENS Paris), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-École normale supérieure - Paris (ENS Paris), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut de Chimie du CNRS (INC)-Ecole Superieure de Physique et de Chimie Industrielles de la Ville de Paris (ESPCI Paris), Université Paris sciences et lettres (PSL)-Centre National de la Recherche Scientifique (CNRS), University of Cambridge [UK] (CAM), Sandia National Laboratories [Livermore], Sandia National Laboratories - Corporation, Catholic University of Leuven - Katholieke Universiteit Leuven (KU Leuven), Conditions Extrêmes et Matériaux : Haute Température et Irradiation (CEMHTI), Université d'Orléans (UO)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Universidade Federal do Ceará = Federal University of Ceará (UFC), Nankai University (NKU), University of Augsburg (UNIA), University of Nottingham, UK (UON), The University of Texas at San Antonio (UTSA), Laboratoire Interdisciplinaire de Physique [Saint Martin d’Hères] (LIPhy ), Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA), University of California [San Diego] (UC San Diego), University of California (UC), University of Notre Dame [Indiana] (UND), University of Liverpool, Institut de Recherche de Chimie Paris (IRCP), Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Ministère de la Culture (MC), Shanghai Jiaotong University, The University of Sydney, Massachusetts Institute of Technology (MIT), University of Adelaide, Technische Universität Dresden = Dresden University of Technology (TU Dresden), Graz University of Technology [Graz] (TU Graz), Northwestern University [Evanston], University of California [Riverside] (UC Riverside), University of Glasgow, Kyoto University, King Abdullah University of Science and Technology (KAUST), Indian Institute of Science Education and Research Pune (IISER Pune), Monash university, Instituto IMDEA Energy [Madrid], Instituto IMDEA Energía, Shinshu University [Nagano], Koç University, Georgia Institute of Technology [Atlanta], TotalEnergies, Aix Marseille Université (AMU), Centre National de la Recherche Scientifique (CNRS), Max Planck Institute for Solid State Research, Max-Planck-Gesellschaft, Ludwig-Maximilians-Universität München (LMU), Universitat de València (UV), Universidad de Alicante, Barcelona Institute of Science and Technology (BIST), University of Sheffield [Sheffield], University of Saint Andrews, Universidad de Granada = University of Granada (UGR), Imperial College London, University of Manchester [Manchester], École normale supérieure - Paris (ENS-PSL), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-École normale supérieure - Paris (ENS-PSL), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Ecole Superieure de Physique et de Chimie Industrielles de la Ville de Paris (ESPCI Paris), Université Paris sciences et lettres (PSL)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), National Institute of Standards and Technology [Gaithersburg] (NIST), Massey University, University of Bristol [Bristol], The University of Tokyo (UTokyo), Delft University of Technology (TU Delft), Universiteit Gent = Ghent University (UGENT), Ikerbasque - Basque Foundation for Science, University of California [Berkeley] (UC Berkeley), Korea Advanced Institute of Science and Technology (KAIST), Universidad Autónoma de Madrid (UAM), Texas A&M University [College Station], Universidad de Alicante. Departamento de Química Inorgánica, Laboratorio de Nanotecnología Molecular (NANOMOL), European Commission, European Research Council, University of Cambridge, Trinity College Cambridge, National Nuclear Security Administration (US), Department of Energy (US), Alexander von Humboldt Foundation, Center for Advancing Electronics Dresden, Science and Engineering Research Board (India), Ministerio de Ciencia, Innovación y Universidades (España), Agencia Estatal de Investigación (España), Research Foundation - Flanders, Engineering and Physical Sciences Research Council (UK), National Research Foundation of Korea, Indonesia Endowment Fund for Education, National Institute of Standards and Technology (US), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université d'Orléans (UO), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Ministère de la Culture (MC), Avcı, Seda Keskin (ORCID 0000-0001-5968-0336 & YÖK ID 40548), Osterrieth, J.W.M., Rampersad, J., Madden, D., Rampal, N., Skoric, L., Connolly, B., Allendorf, M.D., Stavila, V., Snider, J.L., Ameloot, R., Marreiros, J., Ania, C., Azevedo, D., Vilarrasa-Garcia, E., Santos, B.F., Bu, X.H., Chang, Z., Bunzen, H., Champness, N.R., Griffin, S.L., Chen, B., Lin, R.B., Coasne, B., Cohen, S., Moreton, J.C., Colón, Y.J., Chen, L., Clowes, R., Coudert, F.X., Cui, Y., Hou, B., D'Alessandro, D.M., Doheny, P.W., Dinc?, M., Sun, C., Doonan, C., Huxley, M.T., Evans, J.D., Falcaro, P., Ricco, R., Farha, O., Idrees, K.B., Islamoglu, T., Feng, P., Yang, H., Forgan, R.S., Bara, D., Furukawa, S., Sanchez, E., Gascon, J., Telalovi?, S., Ghosh, S.K., Mukherjee, S., Hill, M.R., Sadiq, M.M., Horcajada, P., Salcedo-Abraira, P., Kaneko, K., Kukobat, R., Kenvin, J., Kitagawa, S., Otake, K.I., Lively, R.P., DeWitt, S.J.A., Llewellyn, P., Lotsch, B.V., Emmerling, S.T., Pütz, A.M., Martí-Gastaldo, C., Padial, N.M., García-Martínez, J., Linares, N., Maspoch, D., Suárez Del Pino, J.A., Moghadam, P., Oktavian, R., Morris, R.E., Wheatley, P.S., Navarro, J., Petit, C., Danacı, D., Rosseinsky, M.J., Katsoulidis, A.P., Schröder, M., Han, X., Yan, S., Serre, C., Mouchaham, G., Sholl, D.S., Thyagarajan, R., Siderius, D., Snurr, R.Q., Goncalves, R.B., Telfer, S., Lee, S.J., Ting, V.P., Rowlandson, J.L., Uemura T, Iiyuka, T., van derVeen, Monique A., Rega, Davide, Van Speybroeck, Veronique, Rogge, Sven M. J., Lamaire, Aran, Walton, Krista S., Bingel, Lukas W., Wuttke, Stefan, Andreo, Jacopo, Yaghi, Omar, Zhang, Bing, Yavuz, Cafer T., Nguyen, Thien S., Zamora, Felix, Montoro, Carmen, Zhou, Hongcai, Kirchon, Angelo, Fairen-Jimenez, David, College of Engineering, Department of Chemical and Biological Engineering, UAM. Departamento de Química Inorgánica, Fairen-Jimenez, David [0000-0002-5013-1194], and Apollo - University of Cambridge Repository

Subjects
Surface (mathematics), Technology, Chemistry, Multidisciplinary, Surface area, 02 engineering and technology, 01 natural sciences, GAS-STORAGE, Surface Area Analysis, General Materials Science, Porous materials, QD, BET theory, Chemistry, Physical, Nanoporous, Physics, 1. No poverty, Química, [CHIM.MATE]Chemical Sciences/Material chemistry, 3rd-DAS, Reproducibilities, 021001 nanoscience & nanotechnology, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Chemistry, Physics, Condensed Matter, Mechanics of Materials, Physical Sciences, Science & Technology - Other Topics, 0210 nano-technology, Porosity, Materials Science, APPLICABILITY, Materials Science, Multidisciplinary, Nanotechnology, 010402 general chemistry, Physics, Applied, METAL-ORGANIC FRAMEWORKS, Adsorption, Porosimetry, [CHIM]Chemical Sciences, ddc:530, Nanoscience & Nanotechnology, MCC, Química Inorgánica, Science & Technology, Mechanical Engineering, Science and technology, Reproducibility of Results, QD Chemistry, 0104 chemical sciences, Physics and Astronomy, Brunauer Emmett Tellers
Abstract

This project has received funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme (NanoMOFdeli), ERC-2016-COG 726380, Innovate UK (104384) and EPSRC IAA (IAA/RG85685). N.R. acknowledges the support of the Cambridge International Scholarship and the TrinityHenry Barlow Scholarship (Honorary). O.K.F. and R.Q.S. acknowledge funding from the U.S. Department of Energy (DE-FG02-08ER15967). R.S.F. and D.B. acknowledge funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme (SCoTMOF), ERC-2015-StG 677289. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology and Engineering Solutions of Sandia, LLC., a wholly owned subsidiary of Honeywell International, Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA-0003525. The authors gratefully acknowledge funding from the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Hydrogen and Fuel Cell Technologies Office, through the Hydrogen Storage Materials Advanced Research Consortium (HyMARC). This paper describes objective technical results and analysis. Any subjective views or opinions that might be expressed in the paper do not necessarily represent the views of the U.S. Department of Energy or the United States Government. J.D.E. acknowledges the support of the Alexander von Humboldt Foundation and the Center for Information Services and High Performance Computing (ZIH) at TU Dresden. S.K.G. and S.M. acknowledge SERB (Project No. CRG/2019/000906), India for financial support. K.K. and R.K. acknowledge Active Co. Research Grant for funding. S.K. acknowledges funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme (COSMOS), ERC-2017-StG 756489. N.L. and J.G.M acknowledge funding from the European Commission through the H2020-MSCA-RISE-2019 program (ZEOBIOCHEM -872102) and the Spanish MICINN and AEI/FEDER (RTI2018-099504-B-C21). N.L. thanks the University of Alicante for funding (UATALENTO17-05). ICN2 is supported by the Severo Ochoa program from the Spanish MINECO (Grant No. SEV-2017-0706) S.M.J.R. and A.L. wish to thank the Fund for Scientific Research Flanders (FWO), under grant nos. 12T3519N and 11D2220N. L.S. was supported by the EPSRC Cambridge NanoDTC EP/L015978/1. C.T.Y. and T.S.N. acknowledges funds from the National Research Foundation of Korea, NRF-2017M3A7B4042140 and NRF-2017M3A7B4042235. P.F. and H. Y. acknowledge US Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division under Award No. DE-SC0010596 (P.F.). R.O. would like to acknowledge funding support during his Ph.D. study from Indonesian Endowment Fund for Education-LPDP with the contract No. 202002220216006. Daniel Siderius: Official contribution of the National Institute of Standards and Technology (NIST), not subject to copyright in the United States of America. Daniel Siderius: Certain commercially available items may be identified in this paper. This identification does not imply recommendation by NIST, nor does it imply that it is the best available for the purposes described. B.V.L, S.T.E and A.M.P acknowledge funding from the European Research Council (ERC) under the European Union's Horizon 2020 Research and Innovation Program (Grant agreement no. 639233, COFLeaf)., Porosity and surface area analysis play a prominent role in modern materials science. At the heart of this sits the Brunauer–Emmett–Teller (BET) theory, which has been a remarkably successful contribution to the field of materials science. The BET method was developed in the 1930s for open surfaces but is now the most widely used metric for the estimation of surface areas of microand mesoporous materials. Despite its widespread use, the calculation of BET surface areas causes a spread in reported areas, resulting in reproducibility problems in both academia and industry. To prove this, for this analysis, 18 already-measured raw adsorption isotherms were provided to sixty-one labs, who were asked to calculate the corresponding BET areas. This roundrobin exercise resulted in a wide range of values. Here, the reproducibility of BET area determination from identical isotherms is demonstrated to be a largely ignored issue, raising critical concerns over the reliability of reported BET areas. To solve this major issue, a new computational approach to accurately and systematically determine the BET area of nanoporous materials is developed. The software, called “BET surface identification” (BETSI), expands on the well-known Rouquerol criteria and makes an unambiguous BET area assignment possible., European Research Council (ERC) ERC-2016-COG 726380 ERC-2015-StG 677289 ERC-2017-StG 756489 639233, UK Research & Innovation (UKRI) Innovate UK 104384 UK Research & Innovation (UKRI), Engineering & Physical Sciences Research Council (EPSRC) IAA/RG85685, Cambridge International Scholarship TrinityHenry Barlow Scholarship, United States Department of Energy (DOE) DE-FG02-08ER15967, National Nuclear Security Administration DE-NA-0003525, United States Department of Energy (DOE), Alexander von Humboldt Foundation, Center for Information Services and High Performance Computing (ZIH) at TU Dresden, Department of Science & Technology (India), Science Engineering Research Board (SERB), India CRG/2019/000906, Active Co. Research Grant, European Commission through the H2020-MSCA-RISE-2019 program ZEOBIOCHEM -872102, Spanish MICINN and AEI/FEDER RTI2018-099504-B-C21, University of Alicante UATALENTO17-05, Spanish Government SEV-2017-0706 FWO 12T3519N 11D2220N, UK Research & Innovation (UKRI), Engineering & Physical Sciences Research Council (EPSRC) EP/L015978/1, National Research Foundation of Korea NRF-2017M3A7B4042140 NRF-2017M3A7B4042235, United States Department of Energy (DOE) DE-SC0010596, Indonesian Endowment Fund for Education-LPDP 202002220216006

Published
2022

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